methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate

C7H11N3O2 — CID 67049543

IUPACmethyl 2-amino-2-(1-methylpyrazol-3-yl)acetate
SMILESCOC(=O)C(N)c1ccn(C)n1
InChIInChI=1S/C7H11N3O2/c1-10-4-3-5(9-10)6(8)7(11)12-2/h3-4,6H,8H2,1-2H3
InChIKeyZOLMHBQFOIXNGK-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.41
Rot. Bonds2

About methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate

methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate (PubChem CID 67049543) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate.

Molecular Properties

Compound Namemethyl 2-amino-2-(1-methylpyrazol-3-yl)acetate
PubChem CID67049543
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Namemethyl 2-amino-2-(1-methylpyrazol-3-yl)acetate
SMILESCOC(=O)C(N)c1ccn(C)n1
InChIInChI=1S/C7H11N3O2/c1-10-4-3-5(9-10)6(8)7(11)12-2/h3-4,6H,8H2,1-2H3
InChIKeyZOLMHBQFOIXNGK-UHFFFAOYSA-N
XLogP-0.41
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate?
The IUPAC name of methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate (CID 67049543) is methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate.
What is the SMILES notation for methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate?
The canonical SMILES for methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate is COC(=O)C(N)c1ccn(C)n1.
What is the InChIKey of methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate?
The InChIKey is ZOLMHBQFOIXNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-10-4-3-5(9-10)6(8)7(11)12-2/h3-4,6H,8H2,1-2H3.
What are the key properties of methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate?
methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate has a molecular weight of 169.18 g/mol, XLogP of -0.41, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-(1-methylpyrazol-3-yl)acetate is sourced from PubChem (CID 67049543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).